Geometry & MOs

Info

ID:	444411
PubChem CID:	135262331
Reduced:	ClO5N8C43H51 (1)
Stoich.:	AB5C8D43E51 (1)
Weight, g/mol:	182.075451
ΔH_f, kcal/mol:	-131.28
Dipole, Da:	8.94
IP(EA), eV:	-8.75(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbonic acid;1,4-difluoro-2,3-dimethylbut-2-ene

Drug info:

PubChemData

Smile

CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)CN5CCN(CC5)C6=CN=C(C=C6)C(=O)NC7CCC(=O)NC7=O)C

DOS

IR

Vibrations